N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

C12H28N2O — CID 62448411

IUPACN'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCOCCN(C)CCCCCNC(C)C
InChIInChI=1S/C12H28N2O/c1-12(2)13-8-6-5-7-9-14(3)10-11-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDHACQGZHFOJBEK-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds10

About N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine

N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (PubChem CID 62448411) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
PubChem CID62448411
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
SMILESCOCCN(C)CCCCCNC(C)C
InChIInChI=1S/C12H28N2O/c1-12(2)13-8-6-5-7-9-14(3)10-11-15-4/h12-13H,5-11H2,1-4H3
InChIKeyDHACQGZHFOJBEK-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-propan-2-yl-N'-(2-propan-2-yloxyethyl)hexane-1,6-diamine
CID 81068386
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-propan-2-ylpentan-1-amine
CID 104566618
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
4-N-(2-methoxyethyl)-1-N,4-N-di(propan-2-yl)pentane-1,4-diamine
CID 82952231
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N'-(2-methoxyethyl)-N-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 103339315

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine (CID 62448411) is N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is COCCN(C)CCCCCNC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
The InChIKey is DHACQGZHFOJBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-12(2)13-8-6-5-7-9-14(3)10-11-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 62448411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).